2,3-dihydro-1-benzothiophen-6-amine

C8H9NS — CID 12536636

IUPAC2,3-dihydro-1-benzothiophen-6-amine
SMILESNc1ccc2c(c1)SCC2
InChIInChI=1S/C8H9NS/c9-7-2-1-6-3-4-10-8(6)5-7/h1-2,5H,3-4,9H2
InChIKeyWUSZHDLGNMPIKS-UHFFFAOYSA-N
MW151.23 g/mol
LogP1.92
Rot. Bonds

About 2,3-dihydro-1-benzothiophen-6-amine

2,3-dihydro-1-benzothiophen-6-amine (PubChem CID 12536636) has the molecular formula C8H9NS and a molecular weight of 151.23 g/mol. Its IUPAC name is 2,3-dihydro-1-benzothiophen-6-amine.

Molecular Properties

Compound Name2,3-dihydro-1-benzothiophen-6-amine
PubChem CID12536636
Molecular FormulaC8H9NS
Molecular Weight151.23 g/mol
Exact Mass151.05
IUPAC Name2,3-dihydro-1-benzothiophen-6-amine
SMILESNc1ccc2c(c1)SCC2
InChIInChI=1S/C8H9NS/c9-7-2-1-6-3-4-10-8(6)5-7/h1-2,5H,3-4,9H2
InChIKeyWUSZHDLGNMPIKS-UHFFFAOYSA-N
XLogP1.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzothiophen-6-amine?
The IUPAC name of 2,3-dihydro-1-benzothiophen-6-amine (CID 12536636) is 2,3-dihydro-1-benzothiophen-6-amine.
What is the SMILES notation for 2,3-dihydro-1-benzothiophen-6-amine?
The canonical SMILES for 2,3-dihydro-1-benzothiophen-6-amine is Nc1ccc2c(c1)SCC2.
What is the InChIKey of 2,3-dihydro-1-benzothiophen-6-amine?
The InChIKey is WUSZHDLGNMPIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NS/c9-7-2-1-6-3-4-10-8(6)5-7/h1-2,5H,3-4,9H2.
What are the key properties of 2,3-dihydro-1-benzothiophen-6-amine?
2,3-dihydro-1-benzothiophen-6-amine has a molecular weight of 151.23 g/mol, XLogP of 1.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzothiophen-6-amine is sourced from PubChem (CID 12536636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).